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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50007288   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508174
PNG
(CHEMBL4464625)
Show SMILES CC[C@H](NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H20FN5O3S/c1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16/h4-13,19H,3H2,1-2H3,(H,27,29)/t19-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508208
PNG
(CHEMBL4457209)
Show SMILES CCC(NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16/h4-13,19H,3H2,1-2H3,(H,27,29)
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508182
PNG
(CHEMBL4475581)
Show SMILES CCCC(NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H22FN5O3S/c1-3-4-20(15-9-10-26-22(11-15)33(2,31)32)28-23(30)19-12-25-14-21-18(19)13-27-29(21)17-7-5-16(24)6-8-17/h5-14,20H,3-4H2,1-2H3,(H,28,30)
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n/an/a 0.300n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508174
PNG
(CHEMBL4464625)
Show SMILES CC[C@H](NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H20FN5O3S/c1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16/h4-13,19H,3H2,1-2H3,(H,27,29)/t19-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508174
PNG
(CHEMBL4464625)
Show SMILES CC[C@H](NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H20FN5O3S/c1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16/h4-13,19H,3H2,1-2H3,(H,27,29)/t19-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MIP1alpha-stimulated CCR1 internalization in human whole blood preincubated for 30 mins followed by MIP1alpha-stimulation and measured ...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508210
PNG
(CHEMBL4518015)
Show SMILES CS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H16F4N4O3S/c1-34(32,33)17-7-13(6-14(8-17)22(24,25)26)9-28-21(31)19-10-27-12-20-18(19)11-29-30(20)16-4-2-15(23)3-5-16/h2-8,10-12H,9H2,1H3,(H,28,31)
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n/an/a 1.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508183
PNG
(CHEMBL4562738)
Show SMILES CC(NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H18FN5O3S/c1-13(14-7-8-24-20(9-14)31(2,29)30)26-21(28)18-10-23-12-19-17(18)11-25-27(19)16-5-3-15(22)4-6-16/h3-13H,1-2H3,(H,26,28)
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n/an/a 1.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508172
PNG
(CHEMBL4456123)
Show SMILES CS(=O)(=O)c1cc(ccn1)C1(CC1)NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)
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n/an/a 1.80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508211
PNG
(CHEMBL4474606)
Show SMILES CS(=O)(=O)c1cc(ccn1)C1(CCC1)NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O3S/c1-33(31,32)21-11-15(7-10-26-21)23(8-2-9-23)28-22(30)19-12-25-14-20-18(19)13-27-29(20)17-5-3-16(24)4-6-17/h3-7,10-14H,2,8-9H2,1H3,(H,28,30)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508173
PNG
(CHEMBL4475173)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H18FN5O3S/c1-23-31(29,30)17-8-2-14(3-9-17)10-25-21(28)19-11-24-13-20-18(19)12-26-27(20)16-6-4-15(22)5-7-16/h2-9,11-13,23H,10H2,1H3,(H,25,28)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508172
PNG
(CHEMBL4456123)
Show SMILES CS(=O)(=O)c1cc(ccn1)C1(CC1)NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508180
PNG
(CHEMBL4448761)
Show SMILES Fc1ccc(cc1)-n1ncc2c(cncc12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H14F4N4O/c22-15-4-6-16(7-5-15)29-19-12-26-10-18(17(19)11-28-29)20(30)27-9-13-2-1-3-14(8-13)21(23,24)25/h1-8,10-12H,9H2,(H,27,30)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508168
PNG
(CHEMBL4475237)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FN4O3S/c1-24-31(29,30)18-11-5-15(6-12-18)13-25-22(28)19-3-2-4-21-20(19)14-26-27(21)17-9-7-16(23)8-10-17/h2-12,14,24H,13H2,1H3,(H,25,28)
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n/an/a 4.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508206
PNG
(CHEMBL4465000)
Show SMILES CC(C)NS(=O)(=O)c1ccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H23FN4O3S/c1-16(2)28-33(31,32)20-12-6-17(7-13-20)14-26-24(30)21-4-3-5-23-22(21)15-27-29(23)19-10-8-18(25)9-11-19/h3-13,15-16,28H,14H2,1-2H3,(H,26,30)
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508214
PNG
(CHEMBL4475918)
Show SMILES CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H21FN4O3S/c1-27(2)32(30,31)19-12-6-16(7-13-19)14-25-23(29)20-4-3-5-22-21(20)15-26-28(22)18-10-8-17(24)9-11-18/h3-13,15H,14H2,1-2H3,(H,25,29)
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508186
PNG
(CHEMBL4441094)
Show SMILES CS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)ccn1
Show InChI InChI=1S/C20H16FN5O3S/c1-30(28,29)19-8-13(6-7-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-4-2-14(21)3-5-15/h2-8,10-12H,9H2,1H3,(H,24,27)
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n/an/a 6.80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508215
PNG
(CHEMBL4475801)
Show SMILES CS(=O)(=O)c1cccc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H17FN4O3S/c1-30(28,29)17-4-2-3-14(9-17)10-24-21(27)19-11-23-13-20-18(19)12-25-26(20)16-7-5-15(22)6-8-16/h2-9,11-13H,10H2,1H3,(H,24,27)
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508186
PNG
(CHEMBL4441094)
Show SMILES CS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)ccn1
Show InChI InChI=1S/C20H16FN5O3S/c1-30(28,29)19-8-13(6-7-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-4-2-14(21)3-5-15/h2-8,10-12H,9H2,1H3,(H,24,27)
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MIP1alpha-stimulated CCR1 internalization in human whole blood preincubated for 30 mins followed by MIP1alpha-stimulation and measured ...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508181
PNG
(CHEMBL4464575)
Show SMILES CC(C)(NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-22(2,14-8-9-25-20(10-14)32(3,30)31)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-6-4-15(23)5-7-16/h4-13H,1-3H3,(H,27,29)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508187
PNG
(CHEMBL4442765)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H17FN4O3S/c1-30(28,29)17-8-2-14(3-9-17)10-24-21(27)19-11-23-13-20-18(19)12-25-26(20)16-6-4-15(22)5-7-16/h2-9,11-13H,10H2,1H3,(H,24,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508176
PNG
(CHEMBL4586189)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26FN5O3S/c1-30-13-15-31(16-14-30)36(34,35)22-11-5-19(6-12-22)17-28-26(33)23-3-2-4-25-24(23)18-29-32(25)21-9-7-20(27)8-10-21/h2-12,18H,13-17H2,1H3,(H,28,33)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508203
PNG
(CHEMBL4449996)
Show SMILES Fc1ccc(cn1)-n1ncc2c(cccc12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H14F4N4O/c22-19-8-7-15(11-26-19)29-18-6-2-5-16(17(18)12-28-29)20(30)27-10-13-3-1-4-14(9-13)21(23,24)25/h1-9,11-12H,10H2,(H,27,30)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508209
PNG
(CHEMBL4466500)
Show SMILES CCS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)ccn1
Show InChI InChI=1S/C21H18FN5O3S/c1-2-31(29,30)20-9-14(7-8-24-20)10-25-21(28)18-11-23-13-19-17(18)12-26-27(19)16-5-3-15(22)4-6-16/h3-9,11-13H,2,10H2,1H3,(H,25,28)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508190
PNG
(CHEMBL4448064)
Show SMILES Fc1ccc(cc1)-n1ncc2c(cccc12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H15F4N3O/c23-16-7-9-17(10-8-16)29-20-6-2-5-18(19(20)13-28-29)21(30)27-12-14-3-1-4-15(11-14)22(24,25)26/h1-11,13H,12H2,(H,27,30)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508186
PNG
(CHEMBL4441094)
Show SMILES CS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)ccn1
Show InChI InChI=1S/C20H16FN5O3S/c1-30(28,29)19-8-13(6-7-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-4-2-14(21)3-5-15/h2-8,10-12H,9H2,1H3,(H,24,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508185
PNG
(CHEMBL4454067)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C20H16FN5O3S/c1-30(28,29)19-7-2-13(8-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-5-3-14(21)4-6-15/h2-8,10-12H,9H2,1H3,(H,24,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508217
PNG
(CHEMBL4472994)
Show SMILES Fc1ccc(cc1)-n1ncc2c(cncc12)C(=O)NCc1ccnc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H18FN5O3S/c23-15-1-3-16(4-2-15)28-20-13-24-11-19(18(20)12-27-28)22(29)26-10-14-7-8-25-21(9-14)32(30,31)17-5-6-17/h1-4,7-9,11-13,17H,5-6,10H2,(H,26,29)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50508174
PNG
(CHEMBL4464625)
Show SMILES CC[C@H](NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H20FN5O3S/c1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16/h4-13,19H,3H2,1-2H3,(H,27,29)/t19-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR1 assessed as inhibition of MIP-1 alpha-induced calcium flux by Fluo-4 NW or Calcium 4 dye based FLIPR TETRA assay


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508200
PNG
(CHEMBL4565496)
Show SMILES CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H21FN4O3S/c1-27(2)32(30,31)19-6-3-5-16(13-19)14-25-23(29)20-7-4-8-22-21(20)15-26-28(22)18-11-9-17(24)10-12-18/h3-13,15H,14H2,1-2H3,(H,25,29)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508198
PNG
(CHEMBL4437170)
Show SMILES CNS(=O)(=O)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H19FN4O3S/c1-24-31(29,30)18-5-2-4-15(12-18)13-25-22(28)19-6-3-7-21-20(19)14-26-27(21)17-10-8-16(23)9-11-17/h2-12,14,24H,13H2,1H3,(H,25,28)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508197
PNG
(CHEMBL4559388)
Show SMILES CS(=O)(=O)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H18FN3O3S/c1-30(28,29)18-5-2-4-15(12-18)13-24-22(27)19-6-3-7-21-20(19)14-25-26(21)17-10-8-16(23)9-11-17/h2-12,14H,13H2,1H3,(H,24,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508184
PNG
(CHEMBL4519965)
Show SMILES CS(=O)(=O)c1cncc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H16FN5O3S/c1-30(28,29)16-6-13(7-22-9-16)8-24-20(27)18-10-23-12-19-17(18)11-25-26(19)15-4-2-14(21)3-5-15/h2-7,9-12H,8H2,1H3,(H,24,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508175
PNG
(CHEMBL4469176)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H18FN3O3S/c1-30(28,29)18-11-5-15(6-12-18)13-24-22(27)19-3-2-4-21-20(19)14-25-26(21)17-9-7-16(23)8-10-17/h2-12,14H,13H2,1H3,(H,24,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508207
PNG
(CHEMBL4471579)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C21H17FN4O3S/c1-30(28,29)20-10-5-14(11-23-20)12-24-21(27)17-3-2-4-19-18(17)13-25-26(19)16-8-6-15(22)7-9-16/h2-11,13H,12H2,1H3,(H,24,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508205
PNG
(CHEMBL4544186)
Show SMILES CCNS(=O)(=O)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H21FN4O3S/c1-2-27-32(30,31)19-6-3-5-16(13-19)14-25-23(29)20-7-4-8-22-21(20)15-26-28(22)18-11-9-17(24)10-12-18/h3-13,15,27H,2,14H2,1H3,(H,25,29)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508199
PNG
(CHEMBL4577460)
Show SMILES CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C24H23FN4O3S/c1-16(2)28-33(31,32)20-6-3-5-17(13-20)14-26-24(30)21-7-4-8-23-22(21)15-27-29(23)19-11-9-18(25)10-12-19/h3-13,15-16,28H,14H2,1-2H3,(H,26,30)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508189
PNG
(CHEMBL4591935)
Show SMILES FC(F)(F)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H15ClF3N3O/c23-16-7-9-17(10-8-16)29-20-6-2-5-18(19(20)13-28-29)21(30)27-12-14-3-1-4-15(11-14)22(24,25)26/h1-11,13H,12H2,(H,27,30)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508212
PNG
(CHEMBL4557554)
Show SMILES FC(F)(F)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C22H14Cl2F3N3O/c23-18-8-7-15(10-19(18)24)30-20-6-2-5-16(17(20)12-29-30)21(31)28-11-13-3-1-4-14(9-13)22(25,26)27/h1-10,12H,11H2,(H,28,31)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508213
PNG
(CHEMBL4568987)
Show SMILES Fc1ccc(cc1)-n1ncc2c(cccc12)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClFN3O/c22-15-4-1-3-14(11-15)12-24-21(27)18-5-2-6-20-19(18)13-25-26(20)17-9-7-16(23)8-10-17/h1-11,13H,12H2,(H,24,27)
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n/an/a 450n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508179
PNG
(CHEMBL4445316)
Show SMILES Fc1ccc(cc1)-n1ncc2c(nccc12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H14F4N4O/c22-15-4-6-16(7-5-15)29-18-8-9-26-19(17(18)12-28-29)20(30)27-11-13-2-1-3-14(10-13)21(23,24)25/h1-10,12H,11H2,(H,27,30)
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n/an/a 450n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50508186
PNG
(CHEMBL4441094)
Show SMILES CS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)ccn1
Show InChI InChI=1S/C20H16FN5O3S/c1-30(28,29)19-8-13(6-7-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-4-2-14(21)3-5-15/h2-8,10-12H,9H2,1H3,(H,24,27)
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n/an/a 670n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR1 assessed as inhibition of MIP-1 alpha-induced calcium flux by Fluo-4 NW or Calcium 4 dye based FLIPR TETRA assay


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508201
PNG
(CHEMBL4458721)
Show SMILES FC(F)(F)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccccc2)c1
Show InChI InChI=1S/C22H16F3N3O/c23-22(24,25)16-7-4-6-15(12-16)13-26-21(29)18-10-5-11-20-19(18)14-27-28(20)17-8-2-1-3-9-17/h1-12,14H,13H2,(H,26,29)
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n/an/a 750n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508192
PNG
(CHEMBL4552741)
Show SMILES Fc1cccc(c1)-n1ncc2c(cccc12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H15F4N3O/c23-16-6-2-7-17(11-16)29-20-9-3-8-18(19(20)13-28-29)21(30)27-12-14-4-1-5-15(10-14)22(24,25)26/h1-11,13H,12H2,(H,27,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508194
PNG
(CHEMBL4450029)
Show SMILES Fc1ccc(cc1)-n1ncc2c(cccc12)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H15F4N3O/c23-15-8-10-16(11-9-15)29-20-7-3-5-17(18(20)13-28-29)21(30)27-12-14-4-1-2-6-19(14)22(24,25)26/h1-11,13H,12H2,(H,27,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508178
PNG
(CHEMBL4527255)
Show SMILES Fc1ccc(cc1)-n1ncc2c(cccc12)C(=O)NCc1ccncc1
Show InChI InChI=1S/C20H15FN4O/c21-15-4-6-16(7-5-15)25-19-3-1-2-17(18(19)13-24-25)20(26)23-12-14-8-10-22-11-9-14/h1-11,13H,12H2,(H,23,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508196
PNG
(CHEMBL4440452)
Show SMILES COC(=O)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H18FN3O3/c1-30-23(29)16-5-2-4-15(12-16)13-25-22(28)19-6-3-7-21-20(19)14-26-27(21)18-10-8-17(24)9-11-18/h2-12,14H,13H2,1H3,(H,25,28)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508202
PNG
(CHEMBL4445779)
Show SMILES Fc1ccccc1-n1ncc2c(cccc12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H15F4N3O/c23-18-8-1-2-9-20(18)29-19-10-4-7-16(17(19)13-28-29)21(30)27-12-14-5-3-6-15(11-14)22(24,25)26/h1-11,13H,12H2,(H,27,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508204
PNG
(CHEMBL4533629)
Show SMILES CNC(=O)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H19FN4O2/c1-25-22(29)16-5-2-4-15(12-16)13-26-23(30)19-6-3-7-21-20(19)14-27-28(21)18-10-8-17(24)9-11-18/h2-12,14H,13H2,1H3,(H,25,29)(H,26,30)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508195
PNG
(CHEMBL4463439)
Show SMILES COc1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H18FN3O2/c1-28-18-5-2-4-15(12-18)13-24-22(27)19-6-3-7-21-20(19)14-25-26(21)17-10-8-16(23)9-11-17/h2-12,14H,13H2,1H3,(H,24,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508193
PNG
(CHEMBL4514702)
Show SMILES Cn1ncc2c(cccc12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O/c1-23-15-7-3-6-13(14(15)10-22-23)16(24)21-9-11-4-2-5-12(8-11)17(18,19)20/h2-8,10H,9H2,1H3,(H,21,24)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
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